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2D Structure
Also known as: 2753-45-9, Mebeverine hcl, Duspatalin, Colofac, Csag-144, Csag 144
Molecular Formula
C25H36ClNO5
Molecular Weight
466.0  g/mol
InChI Key
PLGQWYOULXPJRE-UHFFFAOYSA-N
FDA UNII
15VZ5AL4JN

Mebeverine Hydrochloride is the hydrochloride salt form of mebeverine, an orally bioavailable reserpine derivative and anticholinergic agent, with spasmolytic activity. Upon administration, mebeverine targets, binds to and blocks the muscarinic receptors on smooth muscle cells in target tissues, such as the gastrointestinal (GI) tract, uterus, gallbladder and bladder. This prevents smooth muscle contraction and relaxes smooth muscle. Additionally, this may prevent spasms, ease pain and cramps in the GI tract and improve incontinence. In addition, mebeverine stabilizes excitable membranes by decreasing the permeability of ion channels and preventing intracellular calcium accumulation. This agent also blocks noradrenaline reuptake by sympathetic nerve endings and exerts a local anesthetic effect.
1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
4-[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]butyl 3,4-dimethoxybenzoate;hydrochloride
2.1.2 InChI
InChI=1S/C25H35NO5.ClH/c1-6-26(19(2)17-20-9-12-22(28-3)13-10-20)15-7-8-16-31-25(27)21-11-14-23(29-4)24(18-21)30-5;/h9-14,18-19H,6-8,15-17H2,1-5H3;1H
2.1.3 InChI Key
PLGQWYOULXPJRE-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CCN(CCCCOC(=O)C1=CC(=C(C=C1)OC)OC)C(C)CC2=CC=C(C=C2)OC.Cl
2.2 Other Identifiers
2.2.1 UNII
15VZ5AL4JN
2.3 Synonyms
2.3.1 MeSH Synonyms

1. 4-(ethyl-(4-methoxy-alpha-methylphenethyl)aminobutyl) Veratrate

2. Duspatalin

3. Mebeverine

4. Spasmotalin

2.3.2 Depositor-Supplied Synonyms

1. 2753-45-9

2. Mebeverine Hcl

3. Duspatalin

4. Colofac

5. Csag-144

6. Csag 144

7. Mebeverine Hydrochloride [usan]

8. Mebeverine (hydrochloride)

9. Nsc-169101

10. 15vz5al4jn

11. 4-[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]butyl 3,4-dimethoxybenzoate;hydrochloride

12. Mls000028652

13. Duspatal

14. Benzoic Acid, 3,4-dimethoxy-, 4-(ethyl(2-(4-methoxyphenyl)-1-methylethyl)amino)butyl Ester, Hydrochloride

15. Rudakol

16. Smr000058862

17. Dsstox_cid_25372

18. Dsstox_rid_80834

19. Dsstox_gsid_45372

20. Mebeverine Hydrochloride (usan)

21. 4-(ethyl(1-(4-methoxyphenyl)propan-2-yl)amino)butyl 3,4-dimethoxybenzoate Hydrochloride

22. 4-{ethyl[2-(4-methoxyphenyl)-1-methylethyl]amino}butyl 3,4-dimethoxybenzoate Hydrochloride

23. Nsc 169101

24. Nsc169101

25. Einecs 220-400-0

26. Unii-15vz5al4jn

27. Sr-01000003159

28. 4-(ethyl(p-methoxy-.alpha.-methylphenethyl)amino)butyl Veratrate Hydrochloride

29. 4-[ethyl(p-methoxy-.alpha.-methylphenethyl)amino]butyl Veratrate Hydrochloride

30. Prestwick_587

31. Mebeverine D6 Hcl

32. Colofac Hydrochloride

33. Duspatal Hydrochloride

34. Duspatalin Hydrochloride

35. Opera_id_1589

36. Ncgc00016617-01

37. 4-(ethyl(p-methoxy-alpha-methylphenethyl)amino)butyl Veratrate Hydrochloride

38. Cas-2753-45-9

39. Mls001148590

40. Mls002222299

41. Schembl121977

42. Spectrum1501117

43. Regid_for_cid_17683

44. Chembl1446650

45. Dtxsid1045372

46. Hms1568n22

47. Hms1921f15

48. Pharmakon1600-01501117

49. Bcp28149

50. Ex-a4568

51. Hy-a0078

52. Tox21_110527

53. Ccg-39022

54. Mebeverine Hydrochloride [mi]

55. Mfcd00083411

56. Nsc757840

57. S5027

58. Akos027420570

59. Tox21_110527_1

60. Cs-6931

61. Nsc-757840

62. 4-[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]butyl 3,4-dimethoxybenzoate Hydrochloride

63. Mebeverine Hydrochloride [mart.]

64. Veratric Acid, 4-(ethyl(p-methoxy-alpha-methylphenethyl)amino)butyl Ester, Hydrochloride

65. Mebeverine Hydrochloride [who-dd]

66. Ncgc00018277-06

67. Ncgc00094900-01

68. Ncgc00094900-02

69. Ncgc00094900-03

70. 3,4-dimethoxybenzoic Acid 4-[ethyl[2-(4-methoxyphenyl)-1-methylethyl]amino]butyl Ester Hydrochloride

71. Veratric Acid, Butyl Ester, Hydrochloride

72. Db-047240

73. Ft-0603620

74. Mebeverine Hydrochloride, Analytical Standard

75. D04868

76. Mebeverine Hydrochloride [ep Monograph]

77. N16922

78. Wln: 1or Bo1 Dvo4n2&y1&1r Do1 &gh

79. 753m459

80. A819105

81. Sr-01000003159-4

82. W-109821

83. Mebeverine Hcl Pound>>csag-144 Pound>>csag 144 Pound>>csag144

84. 3,4-dimethoxybenzoicacid4-ethyl2-(4-methoxyphenyl)-1-methylethylaminobutylesterhydrochloride

85. 4-(ethyl(1-(4-methoxyphenyl)propan-2-yl)amino)butyl3,4-dimethoxybenzoatehydrochloride

86. Veratric Acid, 4-[ethyl(p-methoxy-.alpha.-methylphenethyl)amino]butyl Ester Hydrochloride

87. 3,4-dimethoxybenzoic Acid 4-[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]butyl Ester Hydrochloride

88. Benzoic Acid,4-dimethoxy-, 4-[ethyl[2-(4-methoxyphenyl)-1-methylethyl]amino]butyl Ester, Hydrochloride

2.4 Create Date
2005-08-08
3 Chemical and Physical Properties
Molecular Weight 466.0 g/mol
Molecular Formula C25H36ClNO5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count14
Exact Mass465.2282009 g/mol
Monoisotopic Mass465.2282009 g/mol
Topological Polar Surface Area57.2 Ų
Heavy Atom Count32
Formal Charge0
Complexity494
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2
4 Pharmacology and Biochemistry
4.1 MeSH Pharmacological Classification

Parasympatholytics

Agents that inhibit the actions of the parasympathetic nervous system. The major group of drugs used therapeutically for this purpose is the MUSCARINIC ANTAGONISTS. (See all compounds classified as Parasympatholytics.)


Anticonvulsants

Drugs used to prevent SEIZURES or reduce their severity. (See all compounds classified as Anticonvulsants.)